3-AMINO-1,2-PHTHALIC ACID, DIMETHYL ESTER

Base Information

• Chemical Name: 3-AMINO-1,2-PHTHALIC ACID, DIMETHYL ESTER
• CAS No.: 34529-06-1
• Molecular Formula: C10H11 N O4
• Molecular Weight: 209.202
• Hs Code.: 2921420090
• DSSTox Substance ID: DTXSID80539363
• Nikkaji Number: J1.663.431J
• Wikidata: Q72469173
• Mol file: 34529-06-1.mol

Synonyms:1,2-Benzenedicarboxylicacid, 3-amino-, dimethyl ester (9CI); Phthalic acid, 3-amino-, dimethyl ester(6CI); Dimethyl 3-aminophthalate; Methyl 3-amino-2-(methoxycarbonyl)benzoate

Chemical Property of 3-AMINO-1,2-PHTHALIC ACID, DIMETHYL ESTER

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.558
• Boiling Point: 306℃
• PKA: 1.05±0.10(Predicted)
• Flash Point: 136℃
• PSA: 78.62000
• Density: 1.248
• LogP: 1.42320
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 209.06880783
• Heavy Atom Count: 15
• Complexity: 254

Purity/Quality:

98.0%min ^*data from raw suppliers

Dimethyl3-Aminophthalate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C(=CC=C1)N)C(=O)OC
• Uses: Dimethyl 3-aminophthalate is a useful research chemical.

Technology Process of 3-AMINO-1,2-PHTHALIC ACID, DIMETHYL ESTER

There total 10 articles about 3-AMINO-1,2-PHTHALIC ACID, DIMETHYL ESTER which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

dimethyl 3-nitrophthalate (13365-26-9) → dimethyl 3-aminophthalate (34529-06-1)

Guidance literature:

With cyclohexene; palladium on activated charcoal; In ethanol; for 3h; Heating;

DOI:10.1002/jhet.5570260667

Reference yield: 94.0%

3-Amino-4-triisopropylsilanyl-phthalic acid dimethyl ester (110036-10-7) → dimethyl 3-aminophthalate (34529-06-1)

Guidance literature:

With trifluoroacetic acid; In tetrachloromethane; for 2h; Heating;

DOI:10.1016/S0040-4039(00)95738-1

Reference yield: 80.3%

methanol (67-56-1) + 3-nitrophthalic acid anhydride (641-70-3) + acetic anhydride (108-24-7) → dimethyl 3-aminophthalate (34529-06-1)

Guidance literature:

With g-C₃N₄/Cu₂O; at 20 ℃; for 12h;

upstream raw materials:

dimethyl 3-nitrophthalate

3-Amino-4-triisopropylsilanyl-phthalic acid dimethyl ester

3-nitrophthalic acid

3-Nitrophthaloyl dichloride

Downstream raw materials:

3-morpholin-4-yl-phthalic acid dimethyl ester

3-[(Furan-2-ylmethyl)-amino]-phthalic acid dimethyl ester

3-pentylamino-phthalic acid dimethyl ester

3-(2-methoxy-ethylamino)-phthalic acid dimethyl ester

Refernces

• 1、 -. "Fluorescent probe targeting androgen receptor, and preparation method thereof". Paragraph 0049; 0050. . Retrieved 2020/02/20.
• 2、 -. "A green synthetic process for dimethyl 3-amino o-phthalate". Paragraph 0021; 0023; 0024; 0026. . Retrieved 2019/07/16.